UCSF

ZINC02546169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

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Annotations

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.3 -5.88 3 2 0 38 196.253 1
Lo Low (pH 4.5-6) 3.05 6.09 -49.79 4 2 1 40 197.261 1

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.